Information card for entry 4027955

Structure parameters

• Formula: C29 H25 N O4
• Calculated formula: C29 H25 N O4
• SMILES: O=C(OCC)C1=C[C@H]([C@@]2([C@H]1c1ccccc1)C(=O)N(C(=O)C)c1c2cccc1)c1ccccc1.O=C(OCC)C1=C[C@@H]([C@]2([C@@H]1c1ccccc1)C(=O)N(C(=O)C)c1c2cccc1)c1ccccc1
• Title of publication: Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications
• Authors of publication: Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 1488 - 1496
• a: 10.1709 ± 0.0005 Å
• b: 15.5204 ± 0.0009 Å
• c: 14.9385 ± 0.001 Å
• α: 90°
• β: 99.783 ± 0.007°
• γ: 90°
• Cell volume: 2323.8 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No